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4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
分子名称: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2012-07-16
公開日2012-10-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4G6P
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BU of 4g6p by Molmil
Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.641 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6S
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BU of 4g6s by Molmil
Minimal Hairpin Ribozyme in the Transition State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G81
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BU of 4g81 by Molmil
Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Vetting, M.W, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-07-20
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
To be Published
4G8O
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BU of 4g8o by Molmil
Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1
分子名称: (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), 1,2-ETHANEDIOL, Plasminogen activator inhibitor 1, ...
著者Stuckey, J.A, Lawrence, D.A, Li, S.-H.
登録日2012-07-23
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FT7
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BU of 4ft7 by Molmil
Crystal Structure of the CHK1
分子名称: 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTJ
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BU of 4ftj by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTS
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BU of 4fts by Molmil
Crystal structure of the N363T mutant of the Flock House virus capsid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
登録日2012-06-28
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4G36
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BU of 4g36 by Molmil
Photinus pyralis luciferase in the adenylate-forming conformation bound to DLSA
分子名称: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase
著者Sundlov, J.A, Branchini, B.R, Gulick, A.M.
登録日2012-07-13
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.624 Å)
主引用文献Crystal structure of firefly luciferase in a second catalytic conformation supports a domain alternation mechanism.
Biochemistry, 51, 2012
4GBP
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BU of 4gbp by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant
分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
登録日2012-07-27
公開日2013-12-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
4GAJ
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BU of 4gaj by Molmil
Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2 residues 411-424)
分子名称: Genome polyprotein, NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, NEUTRALIZING ANTIBODY AP33 LIGHT CHAIN
著者Potter, J.A, Owsianka, A, Taylor, G.L, Patel, A.H.
登録日2012-07-25
公開日2012-10-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody.
J.Virol., 86, 2012
1NIW
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BU of 1niw by Molmil
Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ...
著者Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D.
登録日2002-12-26
公開日2003-02-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for endothelial nitric oxide synthase binding to calmodulin
Embo J., 22, 2003
4GKB
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BU of 4gkb by Molmil
Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier protein] reductase, CALCIUM ION, ...
著者Vetting, M.W, Hobbs, M.E, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-10
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure
To be Published
4GGH
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BU of 4ggh by Molmil
Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-06
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221)
To be Published
4FSQ
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BU of 4fsq by Molmil
Crystal Structure of the CHK1
分子名称: 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT0
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BU of 4ft0 by Molmil
Crystal Structure of the CHK1
分子名称: 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
1NBQ
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BU of 1nbq by Molmil
Crystal Structure of Human Junctional Adhesion Molecule Type 1
分子名称: Junctional adhesion molecule 1
著者Prota, A.E, Campbell, J.A, Schelling, P, Forrest, J.C, Watson, M.J, Peters, T.R, Aurrand-Lions, M, Imhof, B.A, Dermody, T.S, Stehle, T.
登録日2002-12-03
公開日2003-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human junctional adhesion molecule 1: Implications for reovirus binding
Proc.Natl.Acad.Sci.USA, 100, 2003
1NHC
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BU of 1nhc by Molmil
Structural insights into the processivity of endopolygalacturonase I from Aspergillus niger
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者van Pouderoyen, G, Snijder, H.J, Benen, J.A, Dijkstra, B.W.
登録日2002-12-19
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the processivity of endopolygalacturonase I from Aspergillus niger.
Febs Lett., 554, 2003
1N7S
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BU of 1n7s by Molmil
High Resolution Structure of a Truncated Neuronal SNARE Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, SNAP-25A, ...
著者Ernst, J.A, Brunger, A.T.
登録日2002-11-16
公開日2002-12-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High Resolution Structure, Stability, and Synaptotagmin Binding of a Truncated Neuronal SNARE Complex
J.Biol.Chem., 278, 2003
2W5U
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BU of 2w5u by Molmil
Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
著者Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J.
登録日2008-12-12
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
1ZZR
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BU of 1zzr by Molmil
Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1ZZT
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BU of 1zzt by Molmil
Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1ZZU
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BU of 1zzu by Molmil
Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1XT5
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BU of 1xt5 by Molmil
Crystal Structure of VCBP3, domain 1, from Branchiostoma floridae
分子名称: SULFATE ION, variable region-containing chitin-binding protein 3
著者Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Allaire, M, Jakoncic, J, Stojanoff, V, Litman, G.W, Ostrov, D.A.
登録日2004-10-21
公開日2005-10-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus.
Nat.Immunol., 7, 2006

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